1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; ethanedioate; triphenylphosphanium

Systemtic Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; ethanedioate; triphenylphosphanium Openeye Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; oxalate; triphenylphosphonium CAS Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; oxalate; triphenylphosphonium IUPAC Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; oxalate; triphenylphosphanium Traditional Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; oxalate; triphenylphosphonium Formula: C43H40O4P2 MolecularWeight: 682.722822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CC=CC=C2[P+](CC1)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CCC2=CC=CC=C2[P+](CC1)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C23H24P.C18H15P.C2H2O4/c1-5-14-21(15-6-1)24(22-16-7-2-8-17-22)19-11-3-4-12-20-13-9-10-18-23(20)24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1(4)2(5)6/h1-2,5-10,13-18H,3-4,11-12,19H2;1-15H;(H,3,4)(H,5,6)/q+1;;/p-1